Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6769421 | 0.83 | GRM1 (0.58) | GRM1ALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL6898189 | 0.81 | GRM1 (0.67) | GRM1GAA | |
| SCHEMBL6776461 | 0.80 | GRM1 (0.53) | GRM1GAA | |
| SCHEMBL6776455 | 0.80 | GRM1 (0.53) | GRM1GAA | |
| SCHEMBL29360760 | 0.77 | GRM1 (1.00) | GRM1 | |
| SCHEMBL7422783 | 0.76 | GRM1 (0.67) | GRM1 | |
| SCHEMBL7416569 | 0.72 | GRM1 (0.61) | GRM1ALDH1A1MAPTCA12CA1 | |
| SCHEMBL6770377 | 0.70 | GRM1 (0.64) | GRM1ALDH1A1 | |
| 1,4-Diallyloxybenzene SCHEMBL302448 | 0.62 | CA12 (0.63) | ALDH1A1MAPTUSP2POLBCACNA1B | |
| SCHEMBL826483 | 0.61 | CA12 (0.53) | ALDH1A1MAPTUSP2POLBCACNA1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001004107-A1 | SUBSTITUTED α,β-ANELLATED BUTYROLACTONES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-01-18 | — | — | WO | disclosed |